Slurm Script Advanced users

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1. Submission Script Examples

1.1. MPI small example

1.1.1. Fortran

1.1.1.1. Compilation with Intel compiler / MPI library
module load intel/compiler/2023.1.0 intel/mpi/2021.9.0
mpiifort -fc=ifx -O2 -traceback main_mpi.f90 -o a_impi.out
1.1.1.2. Compilation with GNU / OpenMPI library
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0
mpif90 -O2 -g -fbacktrace main_mpi.f90 -o a_ompi.out
1.1.1.3. Fortran source file main_mpi.f90 :
      PROGRAM main_mpi

      USE mpi

      IMPLICIT NONE

      INTEGER  ::  ier
      INTEGER  ::  iMPI_Rank
      INTEGER  ::  iMPI_Size
!
      INTEGER  ::  ih, il
      INTEGER  ::  iver, isubver
!
      CHARACTER(MPI_MAX_PROCESSOR_NAME)  ::  host_name
      CHARACTER(MPI_MAX_LIBRARY_VERSION_STRING) ::  lib_version
!
      call MPI_Init (ier)
      call MPI_Comm_Size (MPI_COMM_WORLD, iMPI_Size, ier)
      call MPI_Comm_Rank (MPI_COMM_WORLD, iMPI_Rank, ier)
!
!Connaitre le nom de l'hote
      CALL MPI_Get_Processor_Name (host_name, ih, ier)
!
!Connaitre la version de la version de la librairie MPI
      CALL MPI_Get_Library_Version (lib_version, il, ier)
!
      IF (iMPI_Rank == 0) WRITE (6,'(A)') lib_version(1:il)
!
!Connaitre la version de MPI
      CALL MPI_Get_Version (iver, isubver, ier)
!
      WRITE (6,'(2(I4,1x),A,2x,I1,A1,I1)') iMPI_Rank, iMPI_Size, host_name(1:ih), iver, '.', isubver
      CALL MPI_Barrier (MPI_COMM_WORLD, ier)
      IF (IMPI_Rank == 0) THEN
         WRITE (6,'(A)') '====================================='
         CALL Flush (6)
      END IF
!
      call MPI_Finalize (ier)
!
      STOP
      END PROGRAM main_mpi

1.1.2. C

1.1.2.1. Compilation with Intel compiler / MPI library
module load intel/compiler/2023.1.0 intel/mpi/2021.9.0
mpiicc -cc=icx -O2 -traceback main_mpi.c -o a_impi.out
1.1.2.2. Compilation with GNU / OpenMPI library
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0
mpicc -O2 -g main_mpi.c -o a_ompi.out
1.1.2.3. C source file main_mpi.c
#include <mpi.h>
#include <stdio.h>

int main(int argc, char** argv) {
    // Initialize the MPI environment
    MPI_Init(NULL, NULL);

    // Get the number of processes
    int world_size;
    MPI_Comm_size(MPI_COMM_WORLD, &world_size);

    // Get the rank of the process
    int world_rank;
    MPI_Comm_rank(MPI_COMM_WORLD, &world_rank);

    // Get the name of the processor
    char processor_name[MPI_MAX_PROCESSOR_NAME];
    int name_len;
    MPI_Get_processor_name(processor_name, &name_len);

    // Print off a hello world message
    printf("Hello world from processor %s, rank %d out of %d processors\n",
           processor_name, world_rank, world_size);

    // Finalize the MPI environment.
    MPI_Finalize();
}

1.1.3. Intel MPI Multi-Node MPI Parallel Script

For example here to launch a parallel code on 96 processes which therefore uses 4 cnode nodes.

#!/bin/bash
#
# Name of the job
#SBATCH -J my_mpi_job
#
# Number of nodes
#SBATCH --nodes=4
#
# Number of MPI processes per node
#SBATCH --ntasks-per-node=24
#
# Memory per CPU
#$SBATCH --mem-per-cpu=10g
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_mpi-%j.out

module purge
module load intel/compiler/2023.1.0
module load intel/mpi/2021.9.0

#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

#
# So that slurm and Intel MPI work together
export I_MPI_PMI_LIBRARY=/usr/lib64/libpmi.so

time srun ./my_mpi_app > ./output_`printf %03d ${SLURM_NTASKS}`-${SLURM_JOB_ID}.txt 2>&1

1.1.4. OpenMPI multi-node MPI parallel script

#!/bin/bash
#
# Name of the job
#SBATCH -J my_mpi_job
#
# Number of nodes
#SBATCH --nodes=4
#
# Number of MPI processes per node
#SBATCH --ntasks-per-node=24
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_mpi-%j.out

module purge
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0
#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

time srun ./my_mpi_app > ./output_ompi_`printf %03d ${SLURM_NTASKS}`_${SLURM_JOB_ID}.txt 2>&1

1.2. Hybrid MPI-OpenMP small example

1.2.1. Fortran

1.2.1.1. Compilation with Intel compiler / Intel MPI library
module load intel/compiler/2023.1.0 intel/mpi/2021.9.0
mpiifort -fc=ifx -O2 -qopenmp -traceback main_hyb.f90 -o a_ihyb.out
1.2.1.2. Compilation with GNU / OpenMPI Library
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0
mpif90 -O2 -g -fbacktrace -fopenmp main_hyb.f90 -o a_ohyb.out
1.2.1.3. Fortran source file mpi_hyb.f90
      PROGRAM main_mpi

      use mpi
!$    use omp_lib

      IMPLICIT NONE

      INTEGER  ::  ier
      INTEGER  ::  iMPI_MyRank, iOMP_MyRank
      INTEGER  ::  iMPI_Size, iOMP_Nbthds
!
      INTEGER  ::  ih, il
      INTEGER  ::  iver, isubver, iProvided
!
      CHARACTER(MPI_MAX_PROCESSOR_NAME)  ::  host_name
      CHARACTER(MPI_MAX_LIBRARY_VERSION_STRING) ::  lib_version
!
      CALL MPI_Init_Thread (MPI_THREAD_MULTIPLE, iProvided, ier)
      CALL MPI_Comm_Size (MPI_COMM_WORLD, iMPI_Size, ier)
      CALL MPI_Comm_Rank (MPI_COMM_WORLD, iMPI_MyRank, ier)
!
!Connaitre le nom de l'hote
      CALL MPI_Get_Processor_Name (host_name, ih, ier)
!
!Connaitre la version de la version de la librairie MPI
      CALL MPI_Get_Library_Version (lib_version, il, ier)
!
      IF (iMPI_MyRank == 0) WRITE (6,'(A)') lib_version(1:il)
!
!Connaitre la version de MPI
      CALL MPI_Get_Version (iver, isubver, ier)
!
      WRITE (6,'(2(I4,1x),A,2x,I1,A1,I1)') iMPI_MyRank, iMPI_Size, host_name(1:ih), iver, '.', isubver
      CALL MPI_Barrier (MPI_COMM_WORLD, ier)
      IF (IMPI_MyRank == 0) THEN
         WRITE (6,'(A)') '====================================='
         CALL Flush (6)
      END IF
!
!$OMP PARALLEL DEFAULT(NONE) &
!$OMP SHARED (iMPI_MyRank) &
!$OMP PRIVATE(iOMP_MyRank, iOMP_NbThds)
!
!$    iOMP_MyRank = OMP_GET_THREAD_NUM()
!$    iOMP_NbThds = OMP_GET_NUM_THREADS()
!
!$OMP MASTER
!$    IF (iMPI_MyRank == 0) THEN
!$       WRITE (6,'(//,A,I3,//)') 'Number of OpenMP threads per MPI task : ', iOMP_NbThds
!$       WRITE (6,'(A)') '====================================='
!$    END IF
!$OMP END MASTER
!
!$OMP END PARALLEL
!
      CALL MPI_Finalize (ier)
!
      STOP
      END PROGRAM main_mpi

1.2.2. C

1.2.2.1. Compilation with Intel compiler / Intel MPI library
module load intel/compiler/2023.1.0 intel/mpi/2021.9.0
mpiicc -cc=icx -O2 -qopenmp -traceback main_hyb.c -o a_ihyb.out
1.2.2.2. Compilation with GNU / OpenMPI Library
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0
mpicc -O2 -g -fopenmp main_hyb.c -o a_ohyb.out
1.2.2.3. C source file main_hyb.c
#include <stdio.h>
#include <mpi.h>
#include <omp.h>

int main(int argc, char *argv[]) {
  int numprocs, rank, namelen;
  char processor_name[MPI_MAX_PROCESSOR_NAME];
  int iam = 0, np = 1;

  MPI_Init(&argc, &argv);
  MPI_Comm_size(MPI_COMM_WORLD, &numprocs);
  MPI_Comm_rank(MPI_COMM_WORLD, &rank);
  MPI_Get_processor_name(processor_name, &namelen);

#pragma omp parallel default(shared) private(iam, np)
  {
    np = omp_get_num_threads();
    iam = omp_get_thread_num();
    printf("Hello from thread %d out of %d from process %d out of %d on %s\n",
           iam, np, rank, numprocs, processor_name);
  }

  MPI_Finalize();
}

1.2.3. Multi-node hybrid parallel scripting with Intel MPI

Here to launch a parallel hybrid MPI/OpenMP code on 384 cores which therefore uses 4 nodes: 48 MPI processes and 8 OpenMP threads per MPI process.

#!/bin/bash
#
# Name of the job
#SBATCH -J my_hybrid_job
#
# Number of nodes
#SBATCH --nodes=4
#
# Number of MPI processes per node
#SBATCH --ntasks-per-node=12
# Number of cores per MPI process
#SBATCH --cpus-per-task=8
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_hyb-%j.out

#
module purge
module load intel/compiler/2023.1.0 intel/mpi/2021.9.0

#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

#
# So that slurm and Intel MPI work together
export I_MPI_PMI_LIBRARY=/usr/lib64/libpmi.so

# One gets the number of cores for each MPI task, i.e. the number of OpenMP threads
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}

time srun ./my_hyb_app > ./output_impi-`printf %03d ${SLURM_NTASKS}`_omp-`printf %02d ${SLURM_CPUS_PER_TASK}`_${SLURM_JOB_ID}.txt 2>&1

1.2.4. Multi-node hybrid parallel scripting with OpenMPI

Here to launch a parallel hybrid MPI/OpenMP code on 384 cores which therefore uses 4 nodes: 48 MPI processes and 8 OpenMP threads per MPI process.

#!/bin/bash
#
# Name of the job
#SBATCH -J my_hybrid_job
#
# Number of nodes
#SBATCH --nodes=4
#
# Number of MPI processes per node
#SBATCH --ntasks-per-node=12
# Number of cores per MPI process
#SBATCH --cpus-per-task=8
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_hyb-%j.out

#
module purge
module load gcc/13.1.0 openmpi/ucx/4.1.5_gcc_8.5.0_ucx_1.14.1_rdma_46.0

#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

#
# One gets the number of cores for each MPI task, i.e. the number of OpenMP threads
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}

time srun ./my_hyb_app > ./output_impi-`printf %03d ${SLURM_NTASKS}`_omp-`printf %02d ${SLURM_CPUS_PER_TASK}`_${SLURM_JOB_ID}.txt 2>&1

1.3. OpenMP small example

1.3.1. Fortran

1.3.1.1. Compilation with Intel compiler
module load intel/compiler/2023.1.0
ifx -O2 -qopenmp -traceback main_omp.f90 -o a_iomp.out
1.3.1.2. Compilation with GNU
module load gcc/13.1.0
gfortran -O2 -g -fbacktrace -fopenmp main_omp.f90 -o a_gomp.out
1.3.1.3. Fortran source file main_omp.f90
      PROGRAM main_omp

!$    USE omp_lib

      IMPLICIT NONE

      INTEGER  ::  iOMP_MyRank, iOMP_Nbthds
!
!
!$OMP PARALLEL DEFAULT(NONE) &
!$OMP PRIVATE (iOMP_NbThds, iOMP_MyRank)
!
!$    iOMP_MyRank = OMP_GET_THREAD_NUM()
!$    iOMP_NbThds = OMP_GET_NUM_THREADS()
!
!$    WRITE (6,'(A,I3)') 'Hello from OpenMP thread : ', iOMP_MyRank
!$OMP MASTER
!$    WRITE (6,'(//,A,I3,//)') 'Number of OpenMP threads : ', iOMP_NbThds
!$    WRITE (6,'(A)') '====================================='
!$OMP END MASTER
!
!$OMP END PARALLEL
!
      STOP
      END PROGRAM main_omp

1.3.2. C

1.3.2.1. Compilation with Intel compiler
module load intel/compiler/2023.1.0
icx -O2 -qopenmp -traceback main_omp.c -o a_iomp.out
1.3.2.2. Compilation with GNU compiler
module load gcc/13.1.0
gcc -O2 -g -fopenmp main_omp.c -o a_gomp.out
1.3.2.3. C source file main_omp.c
#include <stdio.h>
#include <omp.h>

int main(int argc, char *argv[]) {
  int iam = 0, np = 1;

#pragma omp parallel default(shared) private(iam, np)
  {
    np = omp_get_num_threads();
    iam = omp_get_thread_num();
    printf("Hello from thread %d out of %d OpenMP threads\n",
           iam, np);
  }

}

1.3.3. Intel intra-node parallel scripting

This script is used for parallelized calculations in shared memory like OpenMP or pthreads.

#!/bin/bash
#
# Name of the job
#SBATCH -J my_openmp_job
#
# Number of nodes
#SBATCH --nodes=1
#
# Number of tasks per node (only one task)
#SBATCH --ntasks-per-node=1
# Number of cores per task (as many cores as OpenMP threads)
#SBATCH --cpus-per-task=32
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_omp-%j.out
#
module purge
module load intel/compiler/2023.1.0

#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

# One gets the number of cores
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}

time ./my_openmp_app > output_`printf %02d ${OMP_NUM_THREADS}`-${SLURM_JOB_ID} 2>&1

1.3.4. GNU intra-node parallel scripting

#!/bin/bash
#
# Name of the job
#SBATCH -J my_openmp_job
#
# Number of nodes
#SBATCH --nodes=1
#
# Number of tasks per node (only one task)
#SBATCH --ntasks-per-node=1
# Number of cores per task (as many cores as OpenMP threads)
#SBATCH --cpus-per-task=32
#
# Priority
#SBATCH --qos=short
#
# No sharing of the nodes
#SBATCH --exclusive
#
# Wall clock limit
#SBATCH --time=01:00:00
#
# Mail address of the user
#SBATCH --mail-user=my.mail@domain.fr
#
# Event notification
#SBATCH --mail-type=all
#
# Standard output file
#SBATCH -o job_omp-%j.out
#
module purge
module load gcc/13.1.0

#
# To go to the running directory
cd $SLURM_SUBMIT_DIR

# One gets the number of cores
export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}

time ./my_openmp_app > output_`printf %02d ${OMP_NUM_THREADS}`-${SLURM_JOB_ID} 2>&1